[2-(4-methoxyanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate

C18H20N2O6S — CID 2115638

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C18H20N2O6S/c1-20(2)27(23,24)16-6-4-5-13(11-16)18(22)26-12-17(21)19-14-7-9-15(25-3)10-8-14/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyNELBHZCZNQLZPK-UHFFFAOYSA-N
MW392.43 g/mol
LogP1.74
Rot. Bonds7

About [2-(4-methoxyanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate

[2-(4-methoxyanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate (PubChem CID 2115638) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
PubChem CID2115638
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C18H20N2O6S/c1-20(2)27(23,24)16-6-4-5-13(11-16)18(22)26-12-17(21)19-14-7-9-15(25-3)10-8-14/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyNELBHZCZNQLZPK-UHFFFAOYSA-N
XLogP1.74
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-methoxyanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate (CID 2115638) is [2-(4-methoxyanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate is COc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The InChIKey is NELBHZCZNQLZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-20(2)27(23,24)16-6-4-5-13(11-16)18(22)26-12-17(21)19-14-7-9-15(25-3)10-8-14/h4-11H,12H2,1-3H3,(H,19,21).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
[2-(4-methoxyanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate has a molecular weight of 392.43 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2115638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).